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Compound Detail

CHEMBL3945620

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O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(CO)cc1

Basic Information

ChEMBL ID CHEMBL3945620
Phase Preclinical
Structure Type MOL
InChI Key DQUZXKIQRRGZKS-KVSKMBFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.64
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O5
MW 334.41
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.21

Data from ChEMBL 36 via Core Engine